6-(3,5-dimethylphenoxy)-5-propan-2-yl-1-(pyridin-2-ylmethyl)pyrimidine-2,4-dione

C21H23N3O3 — CID 15957788

IUPAC6-(3,5-dimethylphenoxy)-5-propan-2-yl-1-(pyridin-2-ylmethyl)pyrimidine-2,4-dione
SMILESCc1cc(C)cc(Oc2c(C(C)C)c(=O)[nH]c(=O)n2Cc2ccccn2)c1
InChIInChI=1S/C21H23N3O3/c1-13(2)18-19(25)23-21(26)24(12-16-7-5-6-8-22-16)20(18)27-17-10-14(3)9-15(4)11-17/h5-11,13H,12H2,1-4H3,(H,23,25,26)
InChIKeyIYDIDSZTFSWGDN-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.51
Rot. Bonds5

About 6-(3,5-dimethylphenoxy)-5-propan-2-yl-1-(pyridin-2-ylmethyl)pyrimidine-2,4-dione

6-(3,5-dimethylphenoxy)-5-propan-2-yl-1-(pyridin-2-ylmethyl)pyrimidine-2,4-dione (PubChem CID 15957788) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 6-(3,5-dimethylphenoxy)-5-propan-2-yl-1-(pyridin-2-ylmethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(3,5-dimethylphenoxy)-5-propan-2-yl-1-(pyridin-2-ylmethyl)pyrimidine-2,4-dione
PubChem CID15957788
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name6-(3,5-dimethylphenoxy)-5-propan-2-yl-1-(pyridin-2-ylmethyl)pyrimidine-2,4-dione
SMILESCc1cc(C)cc(Oc2c(C(C)C)c(=O)[nH]c(=O)n2Cc2ccccn2)c1
InChIInChI=1S/C21H23N3O3/c1-13(2)18-19(25)23-21(26)24(12-16-7-5-6-8-22-16)20(18)27-17-10-14(3)9-15(4)11-17/h5-11,13H,12H2,1-4H3,(H,23,25,26)
InChIKeyIYDIDSZTFSWGDN-UHFFFAOYSA-N
XLogP3.51
TPSA76.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethylphenoxy)-5-propan-2-yl-1-(pyridin-2-ylmethyl)pyrimidine-2,4-dione?
The IUPAC name of 6-(3,5-dimethylphenoxy)-5-propan-2-yl-1-(pyridin-2-ylmethyl)pyrimidine-2,4-dione (CID 15957788) is 6-(3,5-dimethylphenoxy)-5-propan-2-yl-1-(pyridin-2-ylmethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 6-(3,5-dimethylphenoxy)-5-propan-2-yl-1-(pyridin-2-ylmethyl)pyrimidine-2,4-dione?
The canonical SMILES for 6-(3,5-dimethylphenoxy)-5-propan-2-yl-1-(pyridin-2-ylmethyl)pyrimidine-2,4-dione is Cc1cc(C)cc(Oc2c(C(C)C)c(=O)[nH]c(=O)n2Cc2ccccn2)c1.
What is the InChIKey of 6-(3,5-dimethylphenoxy)-5-propan-2-yl-1-(pyridin-2-ylmethyl)pyrimidine-2,4-dione?
The InChIKey is IYDIDSZTFSWGDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-13(2)18-19(25)23-21(26)24(12-16-7-5-6-8-22-16)20(18)27-17-10-14(3)9-15(4)11-17/h5-11,13H,12H2,1-4H3,(H,23,25,26).
What are the key properties of 6-(3,5-dimethylphenoxy)-5-propan-2-yl-1-(pyridin-2-ylmethyl)pyrimidine-2,4-dione?
6-(3,5-dimethylphenoxy)-5-propan-2-yl-1-(pyridin-2-ylmethyl)pyrimidine-2,4-dione has a molecular weight of 365.43 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethylphenoxy)-5-propan-2-yl-1-(pyridin-2-ylmethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 15957788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).